6-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

• ChemBase ID: 529321
• Molecular Formular: C18H25N5O4
• Molecular Mass: 375.4222
• Monoisotopic Mass: 375.19065431
• SMILES: c1(n(c(=O)n(c(=O)c1)C)C)C(=O)N1CC(c2n(ccn2)CCOC)CCC1
• Canonical SMILES: COCCn1ccnc1C1CCCN(C1)C(=O)c1cc(=O)n(c(=O)n1C)C
• InChI: InChI=1S/C18H25N5O4/c1-20-14(11-15(24)21(2)18(20)26)17(25)23-7-4-5-13(12-23)16-19-6-8-22(16)9-10-27-3/h6,8,11,13H,4-5,7,9-10,12H2,1-3H3
• InChIKey: YANDPBOKTKCXMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-{3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine-1-carbonyl}-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
• IUPAC Traditional name: 6-{3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl}-1,3-dimethylpyrimidine-2,4-dione
• Synonyms: 6-({3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}carbonyl)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.1916007
• LogD (pH = 7.4): -0.5608187
• Log P: -0.53299797
• Molar Refractivity: 99.6615 cm^3
• Polarizability: 37.400288 Å^3
• Polar Surface Area: 87.98 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.3
• LOG S: -2.99
• Polar Surface Area: 91.36 Å^2
• Rotatable Bonds: 5